6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

C24H41N5 — CID 171989089

IUPAC6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCCCCCCCCCNc1nc(C2CCCCC2)nc2c1cnn2C
InChIInChI=1S/C24H41N5/c1-3-4-5-6-7-8-9-10-11-15-18-25-23-21-19-26-29(2)24(21)28-22(27-23)20-16-13-12-14-17-20/h19-20H,3-18H2,1-2H3,(H,25,27,28)
InChIKeySYPVNDYBTKCKIB-UHFFFAOYSA-N
MW399.63 g/mol
LogP6.74
Rot. Bonds13

About 6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine

6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 171989089) has the molecular formula C24H41N5 and a molecular weight of 399.63 g/mol. Its IUPAC name is 6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID171989089
Molecular FormulaC24H41N5
Molecular Weight399.63 g/mol
Exact Mass399.34
IUPAC Name6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCCCCCCCCCCCNc1nc(C2CCCCC2)nc2c1cnn2C
InChIInChI=1S/C24H41N5/c1-3-4-5-6-7-8-9-10-11-15-18-25-23-21-19-26-29(2)24(21)28-22(27-23)20-16-13-12-14-17-20/h19-20H,3-18H2,1-2H3,(H,25,27,28)
InChIKeySYPVNDYBTKCKIB-UHFFFAOYSA-N
XLogP6.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.63
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 171989089) is 6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCCCCCCCCCCCNc1nc(C2CCCCC2)nc2c1cnn2C.
What is the InChIKey of 6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SYPVNDYBTKCKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N5/c1-3-4-5-6-7-8-9-10-11-15-18-25-23-21-19-26-29(2)24(21)28-22(27-23)20-16-13-12-14-17-20/h19-20H,3-18H2,1-2H3,(H,25,27,28).
What are the key properties of 6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine?
6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 399.63 g/mol, XLogP of 6.74, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-N-dodecyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 171989089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).